smiles stringlengths 6 131 |
|---|
CCCOCCC(=O)N[C@@]1(C)CCN(C(=O)c2cccc3ncc(C)n23)C1 |
Nc1cc(Cl)cc(Cl)c1C(=O)N1CCC[C@@H]2CN(C(=O)CC(F)(F)F)CC[C@@H]21 |
C[C@H]1c2ccc(O)cc2CCN1C(=O)c1c(F)cc(Cl)cc1F |
C[C@H]1CCN(C(=O)CNS(C)(=O)=O)C[C@@H]1C(=O)O |
CCCCS[C@@H](C)C(=O)N[C@@H]1CC[C@H]2CCN(C(=O)Cn3ccc(=N)[nH]3)[C@H]1C2 |
CCC[C@@H](CC)CCC(=O)N[C@@H]1CN(C(=O)c2cccc(NC(C)=O)n2)C[C@H]1O |
CO[C@@]1(C(=O)N[C@@H]2CN(C(=O)c3cncc4c3CCC4)C[C@@H]2O)CCC12CCC2 |
NS(=O)(=O)CC(=O)N1CCC(O)(CNC(=O)CCCn2cncn2)CC1 |
CN(CCN(C)C(=O)[C@H]1CNC(=O)C(C)(C)C1)C(=O)c1ccc(F)o1 |
CCN(C(=O)[C@H](C)n1cncn1)[C@H](C)C(=O)NCCCCCC1CC1 |
CN(CCOCCO)c1cc(NCc2cc(F)cnc2Cl)nc(C(F)(F)F)n1 |
CC(C)C[C@H](CNC(=O)[C@]1(C)CC(=O)N(C)C1)C(=O)NC[C@@H](O)C(C)(C)C |
Cc1cncc(CCNC(=O)[C@]23CCN(C(=O)C4(C#N)CC4)CC[C@@H]2C3)n1 |
CCc1[nH]nc(C(=O)N[C@H](C)CCCNC(=O)C[C@@H]2C=CCC2)c1Br |
CN(CCCN(C)C(=O)C1[C@@H]2COC[C@@H]12)C(=O)c1ccccc1NC(=O)CC#N |
CCc1cnn(CC(=O)N(C)C[C@H](C)CNC(=O)C2(c3cccs3)CCCC2)c1 |
CSCCC(=O)NC[C@H](NC(=O)[C@H]1Cc2ccncc2C1)C1CCC1 |
Cc1oc(-c2cccs2)nc1C(=O)NCC#CCNC(=O)[C@H](C)c1ccc(Cl)s1 |
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH]nc32)CCN1C(=O)c1ncn(C)n1 |
Cc1nc2c(s1)CN(S(=O)(=O)c1[nH]c(=NC[C@@H]3C=CCC3)ccc1Br)C2 |
Cc1cc(=O)c(C(=O)N2CC(C)(NC(=O)C[C@@H]3CCCC[C@H]3O)C2)c[nH]1 |
CN(C)C[C@H](O)C(=O)N1CCO[C@@H](CCNC(=O)[C@]23COC[C@H]2C3)C1 |
COc1cc(Br)cc(CN2CCN(C(=O)CC3CC3)C3(CC3)C2)c1 |
C/C=C/[C@H]1CN(C(=O)[C@@H](C)OC2CCCC2)C[C@@H]1C(=O)NCc1ncc(C)s1 |
CN1C[C@@H](C(=O)N[C@@H]2CCN(C(=O)c3ccnn3CC3CC3)C[C@H](O)C2)CC1=O |
CCC(CC)CC(=O)N1CC[C@@H](CNC(=O)[C@@H]2CC(C)(C)CO2)C1(C)C |
CCn1ccc(C(=O)NC[C@@H]2CCN2C(=O)c2cccc(OCC(F)F)n2)n1 |
O=C(N[C@H]1C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Br)c1cncc(F)c1 |
CCOC(=O)C1=CCN(C(=O)CNc2cnn(C)c2)C1 |
Cc1cc(C)c(C(=O)N(C)CCOCCNC(=O)[C@H]2CCC[C@H](C(N)=O)CC2)[nH]1 |
Brc1ccccc1-c1cn(CC2CC3(CCCC3)C2)nn1 |
C=CC1CC(NCCC(=O)Nc2ccccc2)(c2nnnn2[C@H]2CCOC2)C1 |
CC(C)CS(=O)(=O)CCC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2cncn2C)C1 |
CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NC[C@@H]2COC3(CCC3)C2)cc1 |
Cc1ncncc1C(=O)N[C@H](C)c1nocc1C(=O)N1C[C@H]2C[C@@H]1[C@@H]1C[C@H]21 |
Cc1ccccc1C(C)(C)C(=O)NC1C[C@@H]2CN(C(=O)[C@@H](CO)C(C)C)C[C@H]2C1 |
C[C@@H](CCCNC(=O)C[C@@H]1Cc2ccccc2C1=O)NC(=O)c1cnn[nH]1 |
CC(C)[C@@H](C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccn(C)n1 |
COC1(CC(=O)N[C@@H]2CCCCCN(C(=O)c3ccc(C(F)F)o3)C2)CCC1 |
CO[C@@H](C(=O)N1CC(=O)C[C@@H]1C(=O)NCC1(C(C)(F)F)CC1)C(C)C |
CO[C@@H](CCNC(=O)c1ccn(C)n1)C(=O)N(C)[C@@H]1CCN(C)C1 |
CCn1cc(C(=O)N2CC[C@](C)(NC(=O)Cc3ncc(C)s3)C2)c(C(C)C)n1 |
O=C(NCCN(C(=O)[C@@]1(Cl)CC1(F)F)C1CC1)[C@@H]1CC(=O)N(c2ccccc2)C1 |
C=CC[C@H](CNC(=O)c1ccsc1CC)NC(=O)Cc1c(F)cncc1Cl |
C[C@H]1CN(C(=O)Cc2ccno2)CC[C@H]1N(C)C(=O)c1ccc2oc(O)nc2n1 |
CCN(C(=O)[C@@H]1CCCN(C(C)C)C1)[C@H](C)CNC(=O)c1cc(CC(C)C)c[nH]1 |
Cc1ccncc1CC(=O)N1CC(CN(C)C(=O)c2ccc(CCF)cc2)C1 |
CCN(C(=O)C1CC(CC)(CC)C1)[C@@H](C)C(=O)NC[C@@H]1CCC(F)(F)C1 |
CCCN(CCCNC(=O)c1ccc2nncn2c1)C(=O)[C@H]1CCC[C@H](OC)C1 |
C[C@H](Cn1ccnc1)NC(=O)[C@@H](CC(F)F)N(C)C(=O)c1nccnc1N |
CCOC(=O)[C@@H](C(=O)NC1CN(C(=O)C=Cc2cncn2C)C1)c1ccccc1 |
O=C(N[C@]1(CO)CCCN(C(=O)CC[C@H]2CC2(F)F)C1)c1n[nH]c2c1CCSC2 |
CC(C)n1ccc2cc(C(=O)NCCCCCNC(=O)[C@H]3CCOC3=O)ccc21 |
CCc1scnc1C(=O)N1C[C@H](NC(=O)c2cnc(Cl)cn2)C[C@@H]1C |
COCCC(=O)N1CCN(C(=O)C23CCC(CO)(CC2)CC3)[C@H](c2cn[nH]c2)C1 |
Cc1nccn1CCC(=O)NC[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)c1ccc(O)nc1Cl |
Cc1ccc(CNC(=O)[C@@H](C)N[C@@H]2CCc3ccc(OC(F)F)cc32)cc1 |
COCC(=O)NCCC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1 |
CCCN(C)CC(=O)N(C)[C@H](CC(F)F)C(=O)N1CCCO[C@H](C)C1 |
CC1(C)CCC[C@H]1C(=O)N1CCN(C(=O)Cc2ccsc2)CC1 |
CP1(=O)CCN(CC(=O)NC[C@H]2C=C[C@@H](NC(=O)CC(F)(F)F)C2)CC1 |
CCCC[C@@H](NC(=O)c1cnsc1C)C(=O)N1CC(COC(C)=O)C1 |
C#CCCOCCCNC(=O)NCC[C@@H](C)CCO |
O=C1C[C@H](NC(=O)C[C@@H]2COCCN2C(=O)CCc2nc[nH]n2)CN1 |
COc1ccsc1S(=O)(=O)N1CC[C@@](O)(c2cccnc2)C1 |
Cc1nn[nH]c1C(=O)NCc1ccc(C[C@H](C)NC(=O)c2cnc(=N)[nH]c2)cc1 |
CCCN(C(=O)C[C@@H]1CC(CC)=NO1)[C@@H](C)C(=O)Nc1cccc(C2CC2)c1 |
COC(=O)c1coc(C=CC(=O)N[C@@H](C)C2CCCC2)c1 |
CCOC(=O)c1cc(C2CC2)nnc1N(CC)CCNC(=O)C1(C)CC(F)(F)C1 |
CN1CCN(CC(=O)N[C@@H]2CN(C(=O)CN(CCO)CCO)C[C@H]2F)CC1 |
COC1=CC=C(C)C(C(=O)N2CCCC(NC(=O)C3=C(C)C(C)=CC=C3)C2C)=N1 |
COC(=O)C[C@H](C)CC(=O)NC1CC(NC(=O)c2cnc3c(c2)NC(=O)CS3)C1 |
O=C1CC[C@H](C(=O)N2CC[C@@H](NC(=O)[C@H]3CCc4nn[nH]c4C3)C23CCC3)O1 |
COCCCOCCC(=O)N1CC=C[C@H]1CNC(=O)[C@@H]1Cc2ccc(F)cc2O1 |
Cc1nc(C)c(C(=O)N2CC[C@H](NC(=O)c3c[nH]c4nccc-4c3C)[C@@H]2C)[nH]1 |
Cc1cc(C)c(C(=O)N2CCN(C(=O)[C@H]3CCOC3)C[C@](C)(F)C2)cc1N |
CCn1ccc(C(=O)NCc2nnn(C)c2C(=O)NCCOCCOC)c1C |
C#C[C@H](C)N(C)C(=O)c1[nH]ccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] |
CSCCC(=O)N1CCC2(CC(C(=O)NC3CC4(CNC(=O)O4)C3)C2)C1 |
C[C@]1(NC(=O)C2CCC2)CCN(C(=O)Cc2cccc3sccc23)C1 |
Cc1cc(CC(=O)N[C@H]2CCC[C@@H](NC(=O)C3=CCCC3)CC2)sn1 |
CCOC[C@H](C)C(=O)N1CC2(CC(NC(=O)CN3CCN(C)CC3)C2)C1 |
C#CCNC(=O)CCNC(=O)[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC2(CC2)C1 |
CC(C)N1CCC(N2CCC[C@](C)(C(=O)NC[C@H](O)CN(C)C)C2)CC1 |
CO[C@H](CNC(=O)[C@@H](C)n1ccnc1C)CC(=O)N1CC[C@@H](CCO)C1 |
Cc1cccc(Br)c1C(=O)N1CC2(CCCCN(C(=O)Cc3cc[nH]n3)C2)C1 |
Cc1nc(Cl)ccc1CN1CCN(C(=O)CCc2ccsc2)[C@H](C#N)C1 |
O=C(NC[C@H]1C[C@H]1NC(=O)c1ccccc1-c1nc[nH]n1)c1cc([N+](=O)[O-])n[nH]1 |
C[C@@H](Oc1ccccc1C#N)C(=O)NC12CCCC(N)(C1)C2 |
COC(=O)N(C)CC(=O)N1CC2(CCC2)C[C@@H]1C(=O)N[C@@H]1CCC[C@@H](O)C1 |
CC[C@@H]1[C@H](C(=O)NC[C@]2(OC)CC[C@H](C)C2)CCN1C(=O)c1cnnn1C |
COc1c(C)cccc1C(=O)N1C[C@@H](C)[C@@H](Nc2ncc(C)cn2)C1 |
COC(=O)[C@@H]1CC[C@H](NC(=O)[C@H](c2sccc2C)N(C)c2ccccc2C)C1 |
Cc1cc(C(=O)N2C[C@H]3CCN(C(=O)c4ccccc4[C@@H](C)O)CC[C@H]3C2)c[nH]1 |
CN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H](NC(=O)[C@@H](O)CC(F)(F)F)C[C@@H](C2)C1 |
C=CC[C@@H](CNC(=O)C[C@H](C)SC)NC(=O)c1cc(O)nc2c(F)cc(C)cc12 |
O=C(C=CSCc1ccco1)N[C@@H]1CC[C@H]1CNC(=O)CN1CCCCS1(=O)=O |
O=C(NC[C@]12CCC[C@H]1CN(C(=O)c1ccnnc1)C2)[C@H]1CCO1 |
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN1C(=O)c1csc(Cc2ccccc2)c1 |
C=CC[C@@H](CNC(=O)c1cc(O)ccc1OC)NC(=O)c1cnc(O)c(Cl)c1 |
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